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小木虫论坛-学术科研互动平台 » 计算模拟区 » 第一性原理 » MS » MS导出的cell文件中原子坐标有4列，分别是什么意思
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[求助] MS导出的cell文件中原子坐标有4列，分别是什么意思

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1楼 2014-02-20 14:40:20
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Ab Initio Amateur
4列的东西，还是坐标，找了找，总觉得这个应该是是k-point和对应的权重，不知道对不对。。。
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2楼2014-02-20 22:29:41
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cyx779

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hex
对的
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3楼2014-02-21 14:18:48
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